2-(4-fluorophenyl)-5-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

C31H25FN4O4S — CID 53377659

IUPAC2-(4-fluorophenyl)-5-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cccc(-c4cn5ccccc5n4)c3)cc12
InChIInChI=1S/C31H25FN4O4S/c1-33-31(37)29-24-16-23(20-7-6-8-21(15-20)25-18-36-14-5-4-9-28(36)34-25)26(35(2)41(3,38)39)17-27(24)40-30(29)19-10-12-22(32)13-11-19/h4-18H,1-3H3,(H,33,37)
InChIKeyPODRTSMJCJBCDQ-UHFFFAOYSA-N
MW568.63 g/mol
LogP5.98
Rot. Bonds6

About 2-(4-fluorophenyl)-5-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

2-(4-fluorophenyl)-5-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (PubChem CID 53377659) has the molecular formula C31H25FN4O4S and a molecular weight of 568.63 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
PubChem CID53377659
Molecular FormulaC31H25FN4O4S
Molecular Weight568.63 g/mol
Exact Mass568.16
IUPAC Name2-(4-fluorophenyl)-5-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cccc(-c4cn5ccccc5n4)c3)cc12
InChIInChI=1S/C31H25FN4O4S/c1-33-31(37)29-24-16-23(20-7-6-8-21(15-20)25-18-36-14-5-4-9-28(36)34-25)26(35(2)41(3,38)39)17-27(24)40-30(29)19-10-12-22(32)13-11-19/h4-18H,1-3H3,(H,33,37)
InChIKeyPODRTSMJCJBCDQ-UHFFFAOYSA-N
XLogP5.98
TPSA96.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.63
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-(N-methylmethylsulfonamido)benzofuran-3-carboxamide
CID 77845572
2-(4-fluorophenyl)-5-(11-fluoropyrido[3',2':4,5]pyrimido[1,6-a]indol-2-yl)-N-methyl-6-(N-methylmethylsulfonamido)benzofuran-3-carboxamide
CID 78318214
5-(11-fluoro-5,6-dihydropyrido[3',2':4,5]pyrimido[1,6-a]indol-2-yl)-2-(4-fluorophenyl)-N-methyl-6-(N-methylmethylsulfonamido)benzofuran-3-carboxamide
CID 78318815
2-(4-fluorophenyl)-5-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxopyrido[3,2-d]pyrimidin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 86763643
5-(11-fluoroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 90341025
5-(15-fluoro-6-oxo-7,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,11(16),12,14-hexaen-4-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 117775248
6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-5-(3-{[1-(pyrimidin-2-yl)cyclopropyl]carbamoyl}phenyl)-1-benzofuran-3-carboxamide
CID 134828054
2-(5-(3-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-7-carbonyl)-6-methoxy-1-methyl-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide
CID 44426974
2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-9-methylsulfonyl-5,6,7,8-tetrahydrofuro[3,2-h][1]benzazepine
CID 57330708
14-(4-fluorophenyl)-N,2-dimethyl-9-methylsulfonyl-13-oxa-3,6,9-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(10),4,6,11,14,16-hexaene-15-carboxamide
CID 57330990
2-(4-fluorophenyl)-5-[3-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 86764196
2-(4-fluorophenyl)-5-[3-[(5-fluoro-2-pyridinyl)methyl]-4-oxo-1,2,3-benzotriazin-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 87055320

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-5-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (CID 53377659) is 2-(4-fluorophenyl)-5-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-5-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-5-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cccc(-c4cn5ccccc5n4)c3)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-5-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
The InChIKey is PODRTSMJCJBCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25FN4O4S/c1-33-31(37)29-24-16-23(20-7-6-8-21(15-20)25-18-36-14-5-4-9-28(36)34-25)26(35(2)41(3,38)39)17-27(24)40-30(29)19-10-12-22(32)13-11-19/h4-18H,1-3H3,(H,33,37).
What are the key properties of 2-(4-fluorophenyl)-5-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
2-(4-fluorophenyl)-5-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide has a molecular weight of 568.63 g/mol, XLogP of 5.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 53377659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).